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Chemical ID: 7108046
Chemical ID:
7108046
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-2-methoxy-ethanamine
SMILES [?]:
COCCNCc1ccc2c(c1)OCO2
InChi [?]:
InChI=1/C11H15NO3/c1-13-5-4-12-7-9-2-3-10-11(6-9)15-8-14-10/h2-3,6,12H,4-5,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,9,4,3,12,6,14,7,10,11,5,2,15,13/rA:15nCOCCNCCCCCCCOCO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;s13;s10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15NO3 |
All Atoms: | 30 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.87275 |
Area: | 402.357 |
Solvation: | -4.18618 |
Coulombic: | -32.934 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 209.242 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.1 |
LogP (Chemaxon): | 1.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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